SCHEMBL4859243

SCHEMBL4859243

Cc1ccc(S(=O)(=O)NCC([NH])=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
GBA1 P04062 1/20 0.51
CA12 O43570 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2627764 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL8416902 0.84 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL760439 0.84 MMP1 (0.67) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL1997197 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL4859251 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL570839 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL10153991 0.81 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL26817995 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL5182288 0.81 MEP1B (0.69) ALDH1A1SMN1; SMN2CA1CA2MMP1
SCHEMBL28531984 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CA1CA2MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 2391/4885SMN1; SMN2 3469/4885CA1 3921/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885SMN1; SMN2 3562/4885CA1 4152/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.